Y031-2620 Screening compound: 2-{[(3,4-dichlorophenyl)methyl]sulfanyl}-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide

Y031-2620 Screening compound: 2-{[(3,4-dichlorophenyl)methyl]sulfanyl}-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
Y031-2620 Screening compound: 2-{[(3,4-dichlorophenyl)methyl]sulfanyl}-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-2620
2-{[(3,4-dichlorophenyl)methyl]sulfanyl}-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

Y031-2620

Molecular Formula

C17H14Cl2N2O2S2 (C17 H14 Cl2 N2 O2 S2)

Compound Name

2-{[(3,4-dichlorophenyl)methyl]sulfanyl}-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide

IUPAC name

2-{[(34-dichlorophenyl)methyl]sulfanyl}-N-(6-methoxy-13-benzothiazol-2-yl)acetamide

SMILES

COc(cc1)cc2c1nc(NC(CSCc(cc1)cc(Cl)c1Cl)=O)s2

InChI

InChI=1S/C17H14Cl2N2O2S2/c1-23-11-3-5-14-15(7-11)25-17(20-14)21-16(22)9-24-8-10-2-4-12(18)13(19)6-10/h2-7H,8-9H2,1H3,(H,20,21,22)

InChI Key

IBSIQHLSFDFTLE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07133826

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.042

Distribution Coefficient, logD

6.041

Water Solubility, LogSw

-6.19

Polar Surface Area

40.421

Acid Dissociation Constant (pKa)

10.74

Base Dissociation Constant (pKb)

0.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

Y031-2620 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y031-2620 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-2620?
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What is the minimum amount of Y031-2620 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-2620
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-2620
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of Y031-2620 available by request